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- W2237485301 abstract "Molecular modeling and molecular dynamics simulations play an important role in the functional characterization of complex I. With its large size and complicated function, linking quinone reduction to proton pumping across a membrane, complex I poses unique modeling challenges. Nonetheless, simulations have already helped in the identification of possible proton transfer pathways. Simulations have also shed light on the coupling between electron and proton transfer, thus pointing the way in the search for the mechanistic principles underlying the proton pump. In addition to reviewing what has already been achieved in complex I modeling, we aim here to identify pressing issues and to provide guidance for future research to harness the power of modeling in the functional characterization of complex I. This article is part of a Special Issue entitled Respiratory complex I, edited by Volker Zickermann and Ulrich Brandt." @default.
- W2237485301 created "2016-06-24" @default.
- W2237485301 creator A5059945365 @default.
- W2237485301 creator A5091246390 @default.
- W2237485301 date "2016-07-01" @default.
- W2237485301 modified "2023-10-18" @default.
- W2237485301 title "Molecular simulation and modeling of complex I" @default.
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- W2237485301 doi "https://doi.org/10.1016/j.bbabio.2016.01.005" @default.
- W2237485301 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26780586" @default.
- W2237485301 hasPublicationYear "2016" @default.
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